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PDB Info pages Status search Chemie search: 43993 results BIRD

WF1

WF1
Name:	17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid
Formula:	C12 H24 N2 O7
SMILES:	C(OCCOCC(O)=O)CNC(COCCOCCN)=O
InChi:	InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
Definition date:	2020-10-23
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid

YA4

YA4
Name:	[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid
Formula:	C5 H11 O6 P S
SMILES:	O[CH]1CO[CH](CO[P](O)(S)=O)[CH]1O
InChi:	InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1
Definition date:	2021-02-12
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	[(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid

VZG

VZG
Name:	6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
Formula:	C24 H26 N8 O4
SMILES:	C(c2c(cc(NC(C1CC1)=O)nn2)Nc3c(c(ccc3)c4ccc(nn4)C(=O)N(C)C)OC)(NC)=O
InChi:	InChI=1S/C24H26N8O4/c1-25-23(34)20-18(12-19(30-31-20)27-22(33)13-8-9-13)26-16-7-5-6-14(21(16)36-4)15-10-11-17(29-28-15)24(35)32(2)3/h5-7,10-13H,8-9H2,1-4H3,(H,25,34)(H2,26,27,30,33)
Definition date:	2020-09-24
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide

VZJ

VZJ
Name:	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
Formula:	C21 H21 N7 O3
SMILES:	COc3c(Nc2c(nnc(NC(C1CC1)=O)c2)C(NC)=O)cccc3c4ncccn4
InChi:	InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29)
Definition date:	2020-09-24
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide

VL5

VL5
Name:	(2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid
Formula:	C25 H34 N8 O10 S2
SMILES:	CC(C)(NO[S](O)(=O)=O)[CH](NC(=O)C(=NO[CH](COc1ccc(cc1)C(=N)N[CH]2CCCNC2)C(O)=O)c3csc(N)n3)C=O
InChi:	InChI=1S/C25H34N8O10S2/c1-25(2,33-43-45(38,39)40)19(11-34)31-22(35)20(17-13-44-24(27)30-17)32-42-18(23(36)37)12-41-16-7-5-14(6-8-16)21(26)29-15-4-3-9-28-10-15/h5-8,11,13,15,18-19,28,33H,3-4,9-10,12H2,1-2H3,(H2,26,29)(H2,27,30)(H,31,35)(H,36,37)(H,38,39,40)/b32-20-/t15-,18+,19-/m1/s1
Synonyms:	AIC499 (bound)
Definition date:	2021-05-27
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	(2~{S})-2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[~{N}-[(3~{R})-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid

VN1

VN1
Name:	4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide
Formula:	C22 H33 N9 O2
SMILES:	CC(C(c1cn(CCCCN)nn1)n2cc(nn2)COc3c(cc(/C(N)=N)cc3)OC)CC
InChi:	InChI=1S/C22H33N9O2/c1-4-15(2)21(18-13-30(28-27-18)10-6-5-9-23)31-12-17(26-29-31)14-33-19-8-7-16(22(24)25)11-20(19)32-3/h7-8,11-13,15,21H,4-6,9-10,14,23H2,1-3H3,(H3,24,25)/t15-,21-/m0/s1
Definition date:	2020-08-28
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide

V7Q

V7Q
Name:	2,1,3-benzothiadiazol-4-ylmethanamine
Formula:	C7 H7 N3 S
SMILES:	NCc1cccc2nsnc12
InChi:	InChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2
Synonyms:	Benzo[c][1,2,5]thiadiazol-4-ylmethanamine
Definition date:	2021-04-23
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	2,1,3-benzothiadiazol-4-ylmethanamine

V82

V82
Name:	[4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate
Formula:	C50 H54 F N13 O17
SMILES:	CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(=O)OCn4cc(CNC(=O)[CH](CNC(=O)[CH](CNC(=O)CNC(=O)c5cccc(O)c5O)NC(=O)c6cccc(O)c6O)NC(=O)c7cccc(O)c7O)nn4)c(F)c2
InChi:	InChI=1S/C50H54FN13O17/c1-26(65)52-19-29-24-64(50(79)81-29)28-11-12-36(33(51)17-28)61-13-15-62(16-14-61)49(78)80-25-63-23-27(59-60-63)18-54-47(76)35(58-46(75)32-7-4-10-39(68)43(32)72)21-55-48(77)34(57-45(74)31-6-3-9-38(67)42(31)71)20-53-40(69)22-56-44(73)30-5-2-8-37(66)41(30)70/h2-12,17,23,29,34-35,66-68,70-72H,13-16,18-22,24-25H2,1H3,(H,52,65)(H,53,69)(H,54,76)(H,55,77)(H,56,73)(H,57,74)(H,58,75)/t29-,34-,35-/m0/s1
Definition date:	2021-04-26
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	[4-[[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]propanoyl]amino]propanoyl]amino]methyl]-1,2,3-triazol-1-yl]methyl 4-[4-[(5~{S})-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate

UTB

UTB
Name:	1-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione
Formula:	C27 H20 N2 O5
SMILES:	OC[CH]1O[CH](C[CH]1O)N2C=C(C#Cc3ccc4ccc5cccc6ccc3c4c56)C(=O)NC2=O
InChi:	InChI=1S/C27H20N2O5/c30-14-22-21(31)12-23(34-22)29-13-19(26(32)28-27(29)33)9-5-15-4-6-18-8-7-16-2-1-3-17-10-11-20(15)25(18)24(16)17/h1-4,6-8,10-11,13,21-23,30-31H,12,14H2,(H,28,32,33)/t21-,22+,23+/m0/s1
Definition date:	2021-03-17
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	1-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione

YXP

YXP
Name:	{(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid
Formula:	C13 H11 N O5 S
SMILES:	OC(=O)CN1C(=O)C(=C/c2ccc(OC)cc2)/SC1=O
InChi:	InChI=1S/C13H11NO5S/c1-19-9-4-2-8(3-5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-
Definition date:	2021-04-06
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	{(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid

XKJ

XKJ
Name:	dodecyl beta-D-glucopyranoside
Formula:	C18 H36 O6
SMILES:	C(O)C1C(C(O)C(C(O1)OCCCCCCCCCCCC)O)O
InChi:	InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	dodecyl beta-D-glucopyranoside

LMO

LMO
Name:	dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside
Formula:	C24 H46 O11
SMILES:	C(OC1C(C(C(C(CO)O1)O)O)O)C2C(C(O)C(C(O2)OCCCCCCCCCCCC)O)O
InChi:	InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(30)20(29)18(27)16(35-23)14-33-24-22(31)19(28)17(26)15(13-25)34-24/h15-31H,2-14H2,1H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24+/m1/s1
Synonyms:	DDMB
Definition date:	2020-12-21
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside

6ID

6ID
Name:	~{N}-[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-azanyl-5-[[$l^{1}-azanyl($l^{2}-azanylidene)methyl]-$l^{2}-azanyl]-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide
Formula:	C61 H112 N34 O9
SMILES:	NC(=N)NCCC[CH](NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)c2ncnc3[nH]ccc23)C(N)=O
InChi:	InChI=1S/C61H112N34O9/c62-46(98)37(13-6-23-78-55(63)64)88-50(100)39(15-8-25-80-57(67)68)90-52(102)41(17-10-27-82-59(71)72)92-54(104)43(19-12-29-84-61(75)76)93-53(103)42(18-11-28-83-60(73)74)91-51(101)40(16-9-26-81-58(69)70)89-49(99)38(14-7-24-79-56(65)66)87-44(96)20-4-2-1-3-5-21-45(97)94-31-33-95(34-32-94)48-36-22-30-77-47(36)85-35-86-48/h22,30,35,37-43H,1-21,23-29,31-34H2,(H2,62,98)(H,87,96)(H,88,100)(H,89,99)(H,90,102)(H,91,101)(H,92,104)(H,93,103)(H4,63,64,78)(H4,65,66,79)(H4,67,68,80)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84)(H,77,85,86)/t37-,38-,39-,40-,41-,42-,43-/m1/s1
Definition date:	2021-07-27
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	~{N}-[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-1-azanyl-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]-9-oxidanylidene-9-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]nonanamide

QPZ

QPZ
Name:	1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide
Formula:	C18 H18 N2 O3 S
SMILES:	CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3ccccc3
InChi:	InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-15(11-16(13)17)24(22,23)19-12-14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3
Definition date:	2020-07-22
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide

QRB

QRB
Name:	1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide
Formula:	C18 H19 N3 O3
SMILES:	NC(=O)c1ccc2N(CCCc2c1)Cc3ccc(cc3)C(=O)NO
InChi:	InChI=1S/C18H19N3O3/c19-17(22)15-7-8-16-14(10-15)2-1-9-21(16)11-12-3-5-13(6-4-12)18(23)20-24/h3-8,10,24H,1-2,9,11H2,(H2,19,22)(H,20,23)
Definition date:	2020-07-29
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide

RW8

RW8
Name:	methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
Formula:	C13 H15 N O3
SMILES:	COC(=O)CCC(=O)N1CCc2ccccc12
InChi:	InChI=1S/C13H15NO3/c1-17-13(16)7-6-12(15)14-9-8-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3
Definition date:	2020-10-27
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

RXE

RXE
Name:	~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
Formula:	C23 H22 Br4 Cl2 N4 O2
SMILES:	Clc1ccc(CCNC(=O)CCC(=O)NCCCCn2cnc3c(Br)c(Br)c(Br)c(Br)c23)cc1Cl
InChi:	InChI=1S/C23H22Br4Cl2N4O2/c24-18-19(25)21(27)23-22(20(18)26)32-12-33(23)10-2-1-8-30-16(34)5-6-17(35)31-9-7-13-3-4-14(28)15(29)11-13/h3-4,11-12H,1-2,5-10H2,(H,30,34)(H,31,35)
Synonyms:	KN2
Definition date:	2020-10-29
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide

SJT

SJT
Name:	spliceostatin A (form II)
Formula:	C28 H45 N O8
SMILES:	CO[C]1(C)C[C](C)(O)[CH](O)[CH](O1)C=CC(C)=CC[CH]2O[CH](C)[CH](C[CH]2C)NC(=O)C=C[CH](C)OC(C)=O
InChi:	InChI=1S/C28H45NO8/c1-17(10-13-24-26(32)27(6,33)16-28(7,34-8)37-24)9-12-23-18(2)15-22(20(4)36-23)29-25(31)14-11-19(3)35-21(5)30/h9-11,13-14,18-20,22-24,26,32-33H,12,15-16H2,1-8H3,(H,29,31)/b13-10+,14-11-,17-9+/t18-,19-,20+,22+,23-,24+,26+,27-,28-/m0/s1
Synonyms:	[(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-6-[(2~{E},4~{E})-5-[(2~{R},3~{R},4~{S},6~{S})-6-methoxy-4,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate
Definition date:	2020-11-20
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	[(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-6-[(2~{E},4~{E})-5-[(2~{R},3~{R},4~{S},6~{S})-6-methoxy-4,6-dimethyl-3,4-bis(oxidanyl)oxan-2-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate

SQW

SQW
Name:	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
Formula:	C15 H17 N O3
SMILES:	CC(C)OC(=O)CCC(=O)n1ccc2ccccc12
InChi:	InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3
Definition date:	2020-11-30
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate

SRH

SRH
Name:	ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
Formula:	C14 H17 N O3
SMILES:	CCOC(=O)CCC(=O)N1CCc2ccccc12
InChi:	InChI=1S/C14H17NO3/c1-2-18-14(17)8-7-13(16)15-10-9-11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3
Definition date:	2020-11-30
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

SRK

SRK
Name:	4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid
Formula:	C12 H13 N O3
SMILES:	OC(=O)CCC(=O)N1CCc2ccccc12
InChi:	InChI=1S/C12H13NO3/c14-11(5-6-12(15)16)13-8-7-9-3-1-2-4-10(9)13/h1-4H,5-8H2,(H,15,16)
Definition date:	2020-11-30
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoic acid

SRQ

SRQ
Name:	2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
Formula:	C14 H15 F2 N O3
SMILES:	FC(F)COC(=O)CCC(=O)N1CCc2ccccc12
InChi:	InChI=1S/C14H15F2NO3/c15-12(16)9-20-14(19)6-5-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-4,12H,5-9H2
Definition date:	2020-11-30
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate

T1T

T1T
Name:	7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide
Formula:	C17 H12 F3 N5 O S
SMILES:	FC(F)(F)c1[nH]ncc1c2nc3ccc4[nH]ncc4c3c5CC[S](=O)Cc25
InChi:	InChI=1S/C17H12F3N5OS/c18-17(19,20)16-10(6-22-25-16)15-11-7-27(26)4-3-8(11)14-9-5-21-24-12(9)1-2-13(14)23-15/h1-2,5-6H,3-4,7H2,(H,21,24)(H,22,25)/t27-/m1/s1
Definition date:	2020-12-11
Last modified:	2021-07-30
Release date:	2021-08-04

T2W

T2W
Name:	[(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate
Formula:	C27 H44 N2 O5
SMILES:	CNC(=O)O[CH](C)C=CC(=O)N[CH]1CC[CH](CC1)CC=C(C)C=C[CH]2C[C](C)(O)CC(C)(C)O2
InChi:	InChI=1S/C27H44N2O5/c1-19(8-15-23-17-27(5,32)18-26(3,4)34-23)7-10-21-11-13-22(14-12-21)29-24(30)16-9-20(2)33-25(31)28-6/h7-9,15-16,20-23,32H,10-14,17-18H2,1-6H3,(H,28,31)(H,29,30)/b15-8+,16-9-,19-7+/t20-,21-,22+,23+,27+/m0/s1
Definition date:	2020-12-14
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	[(~{Z},2~{S})-5-[[4-[(2~{E},4~{E})-3-methyl-5-[(2~{S},4~{R})-4,6,6-trimethyl-4-oxidanyl-oxan-2-yl]penta-2,4-dienyl]cyclohexyl]amino]-5-oxidanylidene-pent-3-en-2-yl] ~{N}-methylcarbamate

T2Z

T2Z
Name:	[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate
Formula:	C30 H48 O9
SMILES:	CC[CH](O)[CH](C)[CH]1O[CH]1C[C](C)(O)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O)C=C[CH]2C
InChi:	InChI=1S/C30H48O9/c1-8-23(33)20(4)28-24(38-28)17-29(6,35)14-9-10-18(2)27-19(3)11-12-25(37-21(5)31)30(7,36)15-13-22(32)16-26(34)39-27/h9-12,14,19-20,22-25,27-28,32-33,35-36H,8,13,15-17H2,1-7H3/b12-11+,14-9+,18-10+/t19-,20+,22+,23-,24+,25-,27+,28+,29-,30+/m0/s1
Definition date:	2020-12-14
Last modified:	2021-07-30
Release date:	2021-08-04
Identifier:	[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate

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